Computational Materials Discovery Laboratory

Our lab develops novel methods for computational materials discovery, and applies them to a wide range of exciting scientific problems. Positions in the lab are extremely competitive and we choose the select the brightest young talents and nurture them. We use some of the world's most powerful supercomputers, and our lab has its own supercomputer. Importantly, we have developed unique computational codes and use state-of-the-art visualization tools. Each year we host many visiting researchers and students.

What is USPEX?

USPEX (Universal Structure Predictor: Evolutionary Xtallography...and in Russian "uspekh" means "success" - owing to the high success rate and many useful results produced by this method) is a method developed by the Oganov laboratory since 2004. The problem of crystal structure prediction is very old and does, in fact, constitute the central problem of theoretical crystal chemistry. USPEX method/code solves this problem and is used by over 3000 researchers worldwide. The First Blind Test of Inorganic Crystal Structure Prediction shows that USPEX outperforms other methods in terms of efficiency and reliability.